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2-hexadecyl-2-hexadecylsulfanyl-octadecanoic acid

2-hexadecyl-2-hexadecylsulfanyl-octadecanoic acid

Systemtic Name:2-hexadecyl-2-hexadecylsulfanyl-octadecanoic acid
Openeye Name:2-hexadecyl-2-hexadecylsulfanyl-octadecanoic acid
CAS Name:2-hexadecyl-2-(hexadecylthio)octadecanoic acid
IUPAC Name:2-hexadecyl-2-hexadecylsulfanyloctadecanoic acid
Traditional Name:2-cetyl-2-(cetylthio)stearic acid
Formula: C50H100O2S
MolecularWeight: 765.3928
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(C(=O)O)SCCCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(C(=O)O)SCCCCCCCCCCCCCCCC


InChI

InChI=1S/C50H100O2S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-50(49(51)52,47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)53-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3,(H,51,52)


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